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BMRB: 5660


5660
1AKK
Partial proton resonance assignements for the different conformers of ferricytochrome c produced in 30% acetonitrile and 70% water solution
Authors
Sivakolundu, S.G., Mabrouk, P.A.
Assembly
oxidized cytochrome c
Entity
1. oxidized cytochrome c (polymer, Thiol state: all other bound), 104 monomers, 11701.40 Da Detail

GDVEKGKKIF VQKCAQCHTV EKGGKHKTGP NLHGLFGRKT GQAPGFTYTD ANKNKGITWK EETLMEYLEN PKKYIPGTKM IFAGIKKKTE REDLIAYLKK ATNE


2. HEM (non-polymer), 616.487 Da
Total weight
12317.888 Da
Max. entity weight
11701.4 Da
Entity Connection
thioether 2, metal coordination 2 Detail
IDTypeValue orderAtom ID 1Atom ID 2
1thioethersing1:CYS14:SG2:HEM1:CAB
2thioethersing1:CYS17:SG2:HEM1:CAC
3metal coordinationsing1:HIS18:NE22:HEM1:FE
4metal coordinationsing1:MET80:SD2:HEM1:FE

Source organism
Equus caballus
Exptl. method
NMR
Refine. method
DISTANCE GEOMETRY
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 3.8 %, Completeness: 1.2 %, Completeness (bb): 0.5 % Detail
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Polymer type: polypeptide(L)

Total1H
All 1.2 % (8 of 667) 1.2 % (8 of 667)
Backbone 0.5 % (1 of 216) 0.5 % (1 of 216)
Sidechain 1.6 % (7 of 451) 1.6 % (7 of 451)
Aromatic 4.2 % (2 of 48) 4.2 % (2 of 48)
Methyl 0.0 % (0 of 46) 0.0 % (0 of 46)

1. oxidized cytochrome c

GDVEKGKKIF VQKCAQCHTV EKGGKHKTGP NLHGLFGRKT GQAPGFTYTD ANKNKGITWK EETLMEYLEN PKKYIPGTKM IFAGIKKKTE REDLIAYLKK ATNE

Show sample condition
Sample

Temperature 293 (±1) K, Details Oxidized cytochrome c dissolved in 30% acetonitrile-70% aqueous solution resulted in formation of four NMR observable cyt c forms distingushed by the identity of the sixth axial ligand of the heme iron. One met80-ligated cyt c designated as III* form, two lysine-ligated cyt c designated as IVa* and IVb* forms, and one histidine ligated cyt c designated as V* form are produced.


#NameIsotope labelingTypeConcentration
1oxidized cytochrome c2 mM
2PROTOPORPHYRIN IX CONTAINING FE2 mM
3acetonitrile30 %
4H2O70 %

Chem. Shift Complete2
Sequence coverage: 3.8 %, Completeness: 1.0 %, Completeness (bb): 1.4 % Detail
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Polymer type: polypeptide(L)

Total1H
All 1.0 % (14 of 1334) 1.0 % (14 of 1334)
Backbone 1.4 % (6 of 432) 1.4 % (6 of 432)
Sidechain 0.9 % (8 of 902) 0.9 % (8 of 902)
Aromatic 2.1 % (2 of 96) 2.1 % (2 of 96)
Methyl 1.1 % (1 of 92) 1.1 % (1 of 92)

1. oxidized cytochrome c

GDVEKGKKIF VQKCAQCHTV EKGGKHKTGP NLHGLFGRKT GQAPGFTYTD ANKNKGITWK EETLMEYLEN PKKYIPGTKM IFAGIKKKTE REDLIAYLKK ATNE

Show sample condition
Sample

Temperature 293 (±1) K, Details Oxidized cytochrome c dissolved in 30% acetonitrile-70% aqueous solution resulted in formation of four NMR observable cyt c forms distingushed by the identity of the sixth axial ligand of the heme iron. One met80-ligated cyt c designated as III* form, two lysine-ligated cyt c designated as IVa* and IVb* forms, and one histidine ligated cyt c designated as V* form are produced.


#NameIsotope labelingTypeConcentration
1oxidized cytochrome c2 mM
2PROTOPORPHYRIN IX CONTAINING FE2 mM
3acetonitrile30 %
4H2O70 %

Chem. Shift Complete3
Sequence coverage: 3.8 %, Completeness: 1.2 %, Completeness (bb): 1.4 % Detail
Download

Polymer type: polypeptide(L)

Total1H
All 1.2 % (24 of 2001) 1.2 % (24 of 2001)
Backbone 1.4 % (9 of 648) 1.4 % (9 of 648)
Sidechain 1.1 % (15 of 1353) 1.1 % (15 of 1353)
Aromatic 1.4 % (2 of 144) 1.4 % (2 of 144)
Methyl 1.4 % (2 of 138) 1.4 % (2 of 138)

1. oxidized cytochrome c

GDVEKGKKIF VQKCAQCHTV EKGGKHKTGP NLHGLFGRKT GQAPGFTYTD ANKNKGITWK EETLMEYLEN PKKYIPGTKM IFAGIKKKTE REDLIAYLKK ATNE

Show sample condition
Sample

Temperature 293 (±1) K, Details Oxidized cytochrome c dissolved in 30% acetonitrile-70% aqueous solution resulted in formation of four NMR observable cyt c forms distingushed by the identity of the sixth axial ligand of the heme iron. One met80-ligated cyt c designated as III* form, two lysine-ligated cyt c designated as IVa* and IVb* forms, and one histidine ligated cyt c designated as V* form are produced.


#NameIsotope labelingTypeConcentration
1oxidized cytochrome c2 mM
2PROTOPORPHYRIN IX CONTAINING FE2 mM
3acetonitrile30 %
4H2O70 %

Chem. Shift Complete4
Sequence coverage: 1.9 %, Completeness: 1.1 %, Completeness (bb): 1.4 % Detail
Download

Polymer type: polypeptide(L)

Total1H
All 1.1 % (29 of 2668) 1.1 % (29 of 2668)
Backbone 1.4 % (12 of 864) 1.4 % (12 of 864)
Sidechain 1.0 % (18 of 1804) 1.0 % (18 of 1804)
Aromatic 1.6 % (3 of 192) 1.6 % (3 of 192)
Methyl 1.1 % (2 of 184) 1.1 % (2 of 184)

1. oxidized cytochrome c

GDVEKGKKIF VQKCAQCHTV EKGGKHKTGP NLHGLFGRKT GQAPGFTYTD ANKNKGITWK EETLMEYLEN PKKYIPGTKM IFAGIKKKTE REDLIAYLKK ATNE

Show sample condition
Sample

Temperature 293 (±1) K, Details Oxidized cytochrome c dissolved in 30% acetonitrile-70% aqueous solution resulted in formation of four NMR observable cyt c forms distingushed by the identity of the sixth axial ligand of the heme iron. One met80-ligated cyt c designated as III* form, two lysine-ligated cyt c designated as IVa* and IVb* forms, and one histidine ligated cyt c designated as V* form are produced.


#NameIsotope labelingTypeConcentration
1oxidized cytochrome c2 mM
2PROTOPORPHYRIN IX CONTAINING FE2 mM
3acetonitrile30 %
4H2O70 %

Chem. Shift Complete5
Sequence coverage: 1.0 %, Completeness: 1.0 %, Completeness (bb): 1.3 % Detail
Download

Polymer type: polypeptide(L)

Total1H
All 1.0 % (33 of 3335) 1.0 % (33 of 3335)
Backbone 1.3 % (14 of 1080) 1.3 % (14 of 1080)
Sidechain 0.9 % (20 of 2255) 0.9 % (20 of 2255)
Aromatic 1.3 % (3 of 240) 1.3 % (3 of 240)
Methyl 1.3 % (3 of 230) 1.3 % (3 of 230)

1. oxidized cytochrome c

GDVEKGKKIF VQKCAQCHTV EKGGKHKTGP NLHGLFGRKT GQAPGFTYTD ANKNKGITWK EETLMEYLEN PKKYIPGTKM IFAGIKKKTE REDLIAYLKK ATNE

Show sample condition
Sample

Temperature 293 (±1) K, Details Oxidized cytochrome c dissolved in 30% acetonitrile-70% aqueous solution resulted in formation of four NMR observable cyt c forms distingushed by the identity of the sixth axial ligand of the heme iron. One met80-ligated cyt c designated as III* form, two lysine-ligated cyt c designated as IVa* and IVb* forms, and one histidine ligated cyt c designated as V* form are produced.


#NameIsotope labelingTypeConcentration
1oxidized cytochrome c2 mM
2PROTOPORPHYRIN IX CONTAINING FE2 mM
3acetonitrile30 %
4H2O70 %

Protein Blocks Logo
Calculated from 1 models in PDB: 1AKK, Strand ID: A Detail

Release date
2003-02-24
Citation 1
Insights into the Alkaline Transformation of Ferricyt c from 1H NMR Study in 30% Acetonitrile-Water
Sivakolundu, S.G., Mabrouk, P.A.
Protein Sci. (2001), 10, 2291-2300, PubMed , DOI:
Show more 2 citaions
Citation 2
Bacterial expression of a mitochondrial cytochrome c. Trimethylation of lys72 in yeast iso-1-cytochrome c and the alkaline conformational transition
Pollock, W.B., Rosell, F.I., Twitchett, M.B., Dumont, M.E., Mauk, A.G.
Biochemistry (1998), 37, 6124-6131, PubMed 9558351 , DOI 10.1021/bi972188d ,
Citation 3
NMR investigation of ferricytochrome c unfolding: detection of an equilibrium unfolding intermediate and residual structure in the denatured state
Russell, B.S., Melenkivitz, R., Bren, K.L.
Proc. Natl. Acad. Sci. U. S. A. (2000), 97, 8312-8317, PubMed 10880578 , DOI 10.1073/pnas.150239397 ,
Related entities 1. oxidized cytochrome c, : 1 : 30 : 2 : 1 : 206 entities Detail
More details for 240 related entities
Interaction partners 1. oxidized cytochrome c, : 1 interactors Detail
More details for 1 interactors identified by 1 citations
Experiments performed 1 experiments Detail
nullKeywords alkaline transition, non-aqueous enzymology